UCSF

ZINC43016379

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.16 10.92 -11.14 1 6 0 81 458.558 2
Lo Low (pH 4.5-6) 5.16 11.32 -38.84 2 6 1 83 459.566 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )